기본 정보
- CAS
344269-47-2- 표준 SMILES
Cc1ccc(CSc2nnc(CSCc3ccc(Cl)cc3)n2-c2ccccc2)cc1- InChIKey
QXXZCEZLBDZEIH-UHFFFAOYSA-N- 분자식
- C24H22ClN3S2
- 평균 분자량
- 452 g/mol
이름 및 식별자
- 우선 이름
- 4-chlorobenzyl {5-[(4-methylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl sulfide
- IUPAC
- 3-[(4-chlorophenyl)methylsulfanylmethyl]-5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
- 영어명
- 3-([(4-Chlorobenzyl)sulfanyl]methyl)-5-[(4-methylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
- 분자식
- C24H22ClN3S2
- 분자량
- 452.03
이름 및 동의어
344269-47-24-chlorobenzyl {5-[(4-methylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl sulfide3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole3-[(4-chlorophenyl)methylsulfanylmethyl]-5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazoleAKOS0050978377H-434S3-(((4-Chlorobenzyl)thio)methyl)-5-((4-methylbenzyl)thio)-4-phenyl-4H-1,2,4-triazole4-CHLOROBENZYL (5-[(4-METHYLBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFIDE3-([(4-Chlorobenzyl)sulfanyl]methyl)-5-[(4-methylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole4H-1,2,4-Triazole, 3-[[[(4-chlorophenyl)methyl]thio]methyl]-5-[[(4-methylphenyl)methyl]thio]-4-phenyl-
데이터베이스 식별자
- CAS
344269-47-2
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 489
물리화학적 성질
- 끓는 점
- 631.7 · 631.7±65.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.71 · 0.71±0.10(Predicted)
화학 및 산업
공급사5 곳
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
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